Predicted LC-MS/MS Spectrum - 20V, Negative (FDB022861)

Spectrum Details
FooDB ID:FDB022861
Compound name:S-(3-Oxo-3-carboxy-n-propyl)cysteine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0fe0-6910000000-8cf772937c42a374c4ef
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Relative Intensity
20406080100
20406080100020406080100120140160180200220
020406080100120140160180200220
m/z
Experimental Conditions
Ionization Mode:Negative
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C7H11NO5S
Molecular Weight (Monoisotopic Mass):221.0358 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file498 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-UVCUGK)Download file498 Bytes
mzML formatted file (MZML)Download file4.36 KB
References
  1. Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.